SCHEMBL28006977

SCHEMBL28006977

CCC=CCCc1ccccc1.Cc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 14/20 0.56
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TPMT P51580 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28006999 0.89 HCAR1 (0.45) GPR52TPMT
SCHEMBL28006642 0.81 GPR52 (0.51) GPR52KDM4EEPHX2
SCHEMBL9960225 0.81 FOLH1 (0.51) GPR52RAB9A
SCHEMBL28006979 0.80 TOP1 (0.47) GPR52KDM4EPOLBTPMTEPHX2
SCHEMBL4831472 0.79 GPR52 (0.48) GPR52EPHX2
SCHEMBL1071430 0.79 GPR52 (0.48) GPR52EPHX2
SCHEMBL28006637 0.75 TDP1 (0.51) KDM4EPOLBTPMTGAANPC1
SCHEMBL3345017 0.72 RAB9A (0.72) KDM4EPOLBNPC1RAB9A
Benzene SCHEMBL27458637 0.72 TPMT (0.84) KDM4ETPMT
Benzoic Acid SCHEMBL30822818 0.72 DAO (0.52) EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 — — CN disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
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